#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C           0.00502609070492     -1.64703658618734     -0.00680792919438
  C           0.18177284283724     -0.93078661001091      1.17337614382500
  C           0.70623518613554      0.34836399696400      1.10452465764835
  C           1.03250597777904      0.91842184241261     -0.12230761370825
  C           0.86258968855427      0.18167238540525     -1.28730006420717
  C           0.35045605295260     -1.10718230787424     -1.23929543498470
  H           0.85469061782495      0.90526236669357      2.02198895583473
  H           1.13993994664975      0.58939963662723     -2.25040214684228
  C           1.58119532777818      2.29412896697817     -0.14551912041109
  H           2.22818655968770      2.54727568303927      0.68608075253074
  H           2.40747128431753      3.89676743354525     -1.36299492213891
  H           1.24999557037301      2.78971126937021     -2.24327346454625
  C           0.47076563018177      3.56316477279229     -0.30537770665897
  C          -0.85923312196875      3.19306769661475     -0.62810306935240
  C           0.70181548043528      4.64242442883197      0.58471116810018
  C          -1.91321754042899      3.88970349533092     -0.09196071011232
  H          -1.03478664385649      2.35267882087644     -1.28999687144345
  C          -0.35874050963186      5.32757290238688      1.12649673361754
  H           1.72179795119024      4.92185502377141      0.82888509788890
  C          -1.66002199505113      4.94981519559796      0.78509844005567
  H          -2.93226233865514      3.61799736859521     -0.33720121801204
  H          -0.19071947041076      6.15178604272077      1.80822552327229
  H          -2.49689387819265      5.48958257356930      1.21590270993628
  C           1.63192278298912      3.14512788079183     -1.29512940470978
  C          -0.19826286783228     -1.48773916371345      2.54099045226817
  F           0.47489036121029     -0.83867091779082      3.50655174869773
  F           0.09064167570814     -2.78599210029052      2.64469396523743
  F          -1.50372966073045     -1.31732933956151      2.77601659115174
  C           0.20117983098180     -1.87756833128034     -2.54687932665451
  F           0.16021729919087     -1.01828250726789     -3.58341231590011
  F          -0.92843222366346     -2.58998214584998     -2.57017507304537
  F           1.23305000598166     -2.69870850990420     -2.74352311750021
  N          -0.56442780199261     -3.01558008126136      0.05346084641333
  O          -1.73379978656218     -3.08475346460560      0.34872608932820
  O           0.19430967551285     -3.91907871731718     -0.19864336638407
*

